Molecule

ID:134724

General Information
Structure
MolImage
Molecular Formula
C₈H₇N
Molecular Mass
117.14788
Exact Mass
117.05784923
Charge
0
InChI
InChI=1S/C8H7N/c1-7-5-3-4-6-8(7)9-2/h3-6H,1H3
InChIKey
HGHZICGHCZFYNX-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]c1ccccc1C
Isomeric Smiles
Cc1ccccc1[N+]#[C-]
Calculated Properties
JChem
Acid pKa
16.62717
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.21297084
LogD (pH = 7.4)
0.21297084
Log P
0.21297084
Molar Refractivity
44.9806
Polarizability
14.320534
Polar Surface Area
4.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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